N-(3-bromo-4-methoxyphenyl)carbamoyl chloride

C8H7BrClNO2 — CID 115194346

IUPACN-(3-bromo-4-methoxyphenyl)carbamoyl chloride
SMILESCOc1ccc(NC(=O)Cl)cc1Br
InChIInChI=1S/C8H7BrClNO2/c1-13-7-3-2-5(4-6(7)9)11-8(10)12/h2-4H,1H3,(H,11,12)
InChIKeyYDTIDYQQENQGTE-UHFFFAOYSA-N
MW264.51 g/mol
LogP3.23
Rot. Bonds2

About N-(3-bromo-4-methoxyphenyl)carbamoyl chloride

N-(3-bromo-4-methoxyphenyl)carbamoyl chloride (PubChem CID 115194346) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)carbamoyl chloride
PubChem CID115194346
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC NameN-(3-bromo-4-methoxyphenyl)carbamoyl chloride
SMILESCOc1ccc(NC(=O)Cl)cc1Br
InChIInChI=1S/C8H7BrClNO2/c1-13-7-3-2-5(4-6(7)9)11-8(10)12/h2-4H,1H3,(H,11,12)
InChIKeyYDTIDYQQENQGTE-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-cyanoformamide
CID 115171833
O-methyl 2-(3-bromo-4-methoxyanilino)-2-oxoethanethioate
CID 139546924
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
methyl 2-(3-bromo-4-methoxyanilino)-2-oxoacetate;methyl 2-(3-bromo-4-methoxyanilino)-2-sulfanylideneacetate
CID 159616261
2-amino-N-(3-bromo-4-methoxyphenyl)-2-ethylbutanamide
CID 79813242

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)carbamoyl chloride?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)carbamoyl chloride (CID 115194346) is N-(3-bromo-4-methoxyphenyl)carbamoyl chloride.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)carbamoyl chloride?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)carbamoyl chloride is COc1ccc(NC(=O)Cl)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)carbamoyl chloride?
The InChIKey is YDTIDYQQENQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-13-7-3-2-5(4-6(7)9)11-8(10)12/h2-4H,1H3,(H,11,12).
What are the key properties of N-(3-bromo-4-methoxyphenyl)carbamoyl chloride?
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride has a molecular weight of 264.51 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)carbamoyl chloride is sourced from PubChem (CID 115194346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).